7-{[(2-Amino-1,3-Thiazol-4-Yl)(Formamido)Acetyl]Amino}-8-Oxo-3-[(1,2,3-Thiadiazol-5-Ylsulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C16H15N7O5S4
IUPAC Name (6r,7r)-7-[[(2r)-2-(2-aminothiazol-4-yl)-2-formamido-acetyl]amino]-8-oxo-3-(thiadiazol-5-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 513.594 g·mol−1
Heat of Formation -213.1 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 539.51 Å 3
Surface Area 448.71 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey MLLOBKWZTXROPZ-GPCCPHFNSA-N
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